(2S)-N-(4-methylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2CC=C)C

InChI

InChI=1S/C16H20N4OS/c1-5-10-20-13(4)18-19-16(20)22-12(3)15(21)17-14-8-6-11(2)7-9-14/h5-9,12H,1,10H2,2-4H3,(H,17,21)/t12-/m0/s1